# UV-Vis Spectrum Analysis AI Agent Connect

> Predict electronic transitions and λmax using Woodward-Fieser rules.

## Overview
- **Category:** science
- **Price:** Free
- **Endpoint:** https://edge.vinkius.com/vk_preview_H0FuW0DyD79QrOw5eNGrlcIFJxKvAx66KUvkoS3v/ai-agent-connect
- **Tags:** uv-vis, spectroscopy, chemistry, woodward-fieser, chromophore

## Description

This MCP server provides specialized tools for organic chemists to predict and analyze UV-Vis absorption spectra. By applying Woodward-Fieser rules, the server can calculate the wavelength of maximum absorption (`predict_lambda_max`) for various chromophores, determine effective conjugation lengths (`analyze_conjugation`), and identify dominant absorbing groups (`identify_chromophore`). It also accounts for environmental factors by calculating shifts in wavelength due to solvent polarity changes (`calculate_solvent_shift`).

## Tools

### analyze_conjugation
Determines the effective conjugation length of a provided structural description

### calculate_solvent_shift
Calculates the expected shift in lambda max caused by a change in solvent environment

### identify_chromophore
Identifies the dominant chromophore(s) within a given molecular structure

### predict_lambda_max
Predicts the wavelength of maximum absorption for a specific organic structure

## Prompt Examples

**Prompt:** 
```
Predict the lambda max for a butadiene chromophore with 2 conjugation increments and 1 auxochrome in a nonpolar solvent.
```

**Response:** 
```
The predicted wavelength of maximum absorption is 235 nm.
```

**Prompt:** 
```
Identify the primary chromophore in a molecule with a conjugated diene and a hydroxyl group.
```

**Response:** 
```
The primary chromophore is the conjugated diene, with the hydroxyl group acting as an auxochrome.
```

**Prompt:** 
```
What is the expected shift if I move a pi-pi transition from a nonpolar to a polar solvent at 250 nm?
```

**Response:** 
```
The wavelength will shift to 258 nm, resulting in a red shift.
```

## Frequently Asked Questions

**How accurate are the λmax predictions?**
Predictions are based on empirical Woodward-Fieser rules. While highly reliable for standard organic structures, complex or highly strained systems may vary from experimental results.

**Can I account for solvent effects?**
Yes, you can use `calculate_solvent_shift` to determine how moving between different solvent polarities will affect the absorption wavelength.

**What types of chromophores are supported?**
The server supports common types including but not limited to butadiene, enones, and acetophenones via the `predict_lambda_max` tool.